(3S)-2-ethyl-N,3-dimethylpentan-1-amine

C9H21N — CID 163536067

IUPAC(3S)-2-ethyl-N,3-dimethylpentan-1-amine
SMILESCCC(CNC)[C@@H](C)CC
InChIInChI=1S/C9H21N/c1-5-8(3)9(6-2)7-10-4/h8-10H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyDXBPJCCQLJNVHY-IENPIDJESA-N
MW143.27 g/mol
LogP2.28
Rot. Bonds5

About (3S)-2-ethyl-N,3-dimethylpentan-1-amine

(3S)-2-ethyl-N,3-dimethylpentan-1-amine (PubChem CID 163536067) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (3S)-2-ethyl-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name(3S)-2-ethyl-N,3-dimethylpentan-1-amine
PubChem CID163536067
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(3S)-2-ethyl-N,3-dimethylpentan-1-amine
SMILESCCC(CNC)[C@@H](C)CC
InChIInChI=1S/C9H21N/c1-5-8(3)9(6-2)7-10-4/h8-10H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyDXBPJCCQLJNVHY-IENPIDJESA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-3-ethyl-4-methylhexane
CID 59954491
4-ethyl-N,2,3-trimethylhexan-1-amine
CID 81016433
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
3-ethyl-N,2-dimethylhexane-1,6-diamine
CID 167243609
2-ethyl-1-N-methylhexane-1,3-diamine
CID 116946426
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine
CID 129267370
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
butan-2-ol;1-(methylamino)propan-2-ol
CID 143199215
(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine
CID 178044183
4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine
CID 142229086

Frequently Asked Questions

What is the IUPAC name of (3S)-2-ethyl-N,3-dimethylpentan-1-amine?
The IUPAC name of (3S)-2-ethyl-N,3-dimethylpentan-1-amine (CID 163536067) is (3S)-2-ethyl-N,3-dimethylpentan-1-amine.
What is the SMILES notation for (3S)-2-ethyl-N,3-dimethylpentan-1-amine?
The canonical SMILES for (3S)-2-ethyl-N,3-dimethylpentan-1-amine is CCC(CNC)[C@@H](C)CC.
What is the InChIKey of (3S)-2-ethyl-N,3-dimethylpentan-1-amine?
The InChIKey is DXBPJCCQLJNVHY-IENPIDJESA-N. The full InChI is InChI=1S/C9H21N/c1-5-8(3)9(6-2)7-10-4/h8-10H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of (3S)-2-ethyl-N,3-dimethylpentan-1-amine?
(3S)-2-ethyl-N,3-dimethylpentan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-ethyl-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 163536067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).